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Information card for entry 4078774
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| Coordinates | 4078774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | μ^2^-[2,5-Bis(ethoxymethylidenyl)thiophene]decacarbonylditungsten |
|---|---|
| Formula | C20 H12 O12 S W2 |
| Calculated formula | C20 H12 O12 S W2 |
| SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc(cc1)C(=[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC |
| Title of publication | Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives |
| Authors of publication | Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5371 |
| a | 14.6858 ± 0.0005 Å |
| b | 11.9415 ± 0.0005 Å |
| c | 14.7634 ± 0.0004 Å |
| α | 90° |
| β | 110.884 ± 0.002° |
| γ | 90° |
| Cell volume | 2418.97 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178676 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87. |
4078774.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078774.cif |
| 66393 | 2012-09-09 | cif/ Adding structures of 4078774, 4078775, 4078776, 4078777, 4078778, 4078779, 4078780, 4078781 via cif-deposit CGI script. |
4078774.cif |
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Users of the data should acknowledge the original authors of the
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